3-(4-chlorophenyl)-5-methyl-4-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-methyl-4-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]-1,2-oxazole Openeye Name: 4-(2-benzylsulfanylpyrimidin-4-yl)-3-(4-chlorophenyl)-5-methyl-isoxazole CAS Name: 3-(4-chlorophenyl)-5-methyl-4-[2-(phenylmethylthio)-4-pyrimidinyl]isoxazole IUPAC Name: 4-(2-benzylsulfanylpyrimidin-4-yl)-3-(4-chlorophenyl)-5-methyl-1,2-oxazole Traditional Name: 4-[2-(benzylthio)pyrimidin-4-yl]-3-(4-chlorophenyl)-5-methyl-isoxazole Formula: C21H16ClN3OS MolecularWeight: 393.88924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3OS/c1-14-19(20(25-26-14)16-7-9-17(22)10-8-16)18-11-12-23-21(24-18)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3